REMARK  Name = BDB024717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.488  -0.700   0.718  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.575   0.280   0.282  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.204   1.473  -0.316  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.785   1.148  -1.703  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.277   2.683  -0.370  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.998   2.325  -1.096  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.359   1.140  -0.431  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.954   0.985  -0.490  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.025   1.767  -1.131  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.151   1.217  -0.895  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.008   0.105  -0.091  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.334  -0.065   0.169  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.051  -0.997   0.914  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.446  -0.848   0.948  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.132   0.167   0.258  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.686  -0.474   0.881  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.918  -2.949   1.243  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.968  -1.949   0.872  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.070  -0.736   0.430  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.435  -1.874  -0.516  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.558  -2.723   0.068  0.00  0.00    +0.167 C 
BRANCH  21  22
ATOM     22  S   LIG    1       -4.060  -4.005  -1.068  0.00  0.00    -0.034 S 
ATOM     23  O   LIG    1       -2.948  -4.921  -1.225  0.00  0.00    -0.175 OA
ATOM     24  O   LIG    1       -4.675  -3.363  -2.213  0.00  0.00    -0.175 OA
ATOM     25  C   LIG    1       -5.338  -4.854  -0.175  0.00  0.00    +0.194 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  26
ATOM     26  C   LIG    1       -2.453   1.723  -1.445  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.362   2.367  -0.420  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -2.872   3.311   0.495  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.724   3.909   1.424  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.078   3.582   1.441  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.583   2.663   0.524  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.732   2.062  -0.405  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 7